SCHEMBL38629

SCHEMBL38629

C=CCNc1nc(-c2ccccc2)cs1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.74
NPC1 O15118 9/20 0.74
RAB9A P51151 9/20 0.74
SMN1; SMN2 Q16637 7/20 0.74
MEN1 O00255 6/20 0.74
KMT2A Q03164 6/20 0.74
NFKB1 P19838 2/20 0.74
NFKB2 Q00653 2/20 0.74
RELA Q04206 2/20 0.74
CYP1A2 P05177 1/20 0.74
CYP3A4 P08684 1/20 0.74
CYP2D6 P10635 1/20 0.74
CYP2C9 P11712 1/20 0.74
CYP2C19 P33261 1/20 0.74
LMNA P02545 2/20 0.65
ALDH1A1 P00352 4/20 0.61
KDM4E B2RXH2 3/20 0.61
TP53 P04637 1/20 0.61
GSTO1 P78417 1/20 0.57
STAT1 P42224 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL37919 0.80 MAPT (0.56) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL37686 0.80 NPC1 (0.63) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL28526988 0.79 GSTO1 (0.61) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL1747419 0.79 MEN1 (0.71) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL1820346 0.78 ALDH1A1 (0.76) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL38611 0.76 MAPT (0.53) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL12692375 0.76 NPC1 (1.00) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL1747328 0.76 RAB9A (0.81) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL1745328 0.76 MAPT (0.62) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL10352100 0.76 MAPT (0.67) MAPTNPC1RAB9ASMN1; SMN2MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117510958-A Method for manufacturing super-hydrophobic PMMA material and super-hydrophobic PMMA material 浙江华帅特新材料科技有限公司 2024-02-06 CN claimed
CN-117777635-A Infrared transmission organic glass, antistatic organic glass and manufacturing method thereof 浙江华帅特新材料科技有限公司 2024-03-29 CN disclosed
CN-117777636-A Transparent blue light resistant organic glass and manufacturing method thereof 浙江华帅特新材料科技有限公司 2024-03-29 CN disclosed
CN-117510958-A Method for manufacturing super-hydrophobic PMMA material and super-hydrophobic PMMA material 浙江华帅特新材料科技有限公司 2024-02-06 CN disclosed
WO-2011151436-A2 NOVEL COMPOUNDS, METHOD FOR USE THEM AND PHARMACEUTICAL COMPOSITION CONTAINING THEM EUROSCREEN S.A. (BE) 2011-12-08 WO disclosed